Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f14cf624791ffcc918dc89c1f211668",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.926,
"b": 52.568,
"c": 44.593,
"alpha": 90.00,
"beta": 102.93,
"gamma": 90.00
},
"wavelengths": [0.91263],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.520,1.360],
"number_observations": 158683,
"number_observations_unique": 53628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 5261,
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.395
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [54.520,7.440],
"number_observations": 1218,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 103.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}